SCHEMBL255550

SCHEMBL255550

CN1CCN(C(=O)OC(C)(C)C)C(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
DRD2 P14416 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PDE5A O76074 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
ACHE P22303 1/20 0.36
NPEPPS P55786 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL255476 0.83 NR1H2 (0.43) ALDH1A1MAPT
SCHEMBL158286 0.83 MEN1 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27950909 0.83 NR1H2 (0.44)
SCHEMBL31269574 0.81 HDAC1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL31269637 0.77 DRD2 (0.41) DRD2
SCHEMBL23727837 0.76 ALDH1A1 (0.46) ALDH1A1MAPTLMNADRD2SMN1; SMN2
SCHEMBL18778766 0.76 MAP4K4 (0.37)
SCHEMBL23747771 0.76 ALDH1A1 (0.46) ALDH1A1MAPTLMNADRD2SMN1; SMN2
SCHEMBL18778774 0.76 POLB (0.38)
SCHEMBL25279026 0.76 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
CN-103189369-A Pyridone/pyrazinones, methods of making, and methods of use thereof GILEAD CONNECTICUT INC 2013-07-03 CN disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 ALDH1A1 3587/4885MAPT 1213/4885LMNA 2053/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.